4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C15H23N3O3S — CID 97469133

IUPAC4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCOCCN1CCN(S(=O)(=O)C2CC2)Cc2ccc(C)nc21
InChIInChI=1S/C15H23N3O3S/c1-12-3-4-13-11-18(22(19,20)14-5-6-14)8-7-17(9-10-21-2)15(13)16-12/h3-4,14H,5-11H2,1-2H3
InChIKeyXNGRJIGSJRTONG-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.15
Rot. Bonds5

About 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97469133) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97469133
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCOCCN1CCN(S(=O)(=O)C2CC2)Cc2ccc(C)nc21
InChIInChI=1S/C15H23N3O3S/c1-12-3-4-13-11-18(22(19,20)14-5-6-14)8-7-17(9-10-21-2)15(13)16-12/h3-4,14H,5-11H2,1-2H3
InChIKeyXNGRJIGSJRTONG-UHFFFAOYSA-N
XLogP1.15
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97469133) is 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is COCCN1CCN(S(=O)(=O)C2CC2)Cc2ccc(C)nc21.
What is the InChIKey of 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is XNGRJIGSJRTONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-3-4-13-11-18(22(19,20)14-5-6-14)8-7-17(9-10-21-2)15(13)16-12/h3-4,14H,5-11H2,1-2H3.
What are the key properties of 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 325.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97469133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).